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SLAC Publication: SLAC-PUB-16242
SLAC Release Date: March 31, 2015
Probing the Transition State Region in Catalytic CO Oxidation on Ru
Abild-Pedersen, Frank.
Femtosecond x-ray laser pulses are used to probe the CO oxidation reaction on Ru initiated by an optical laser pulse. On a timescale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and O on the surface allowing the reactants to collide and, with a transient close to a picosecond (ps), new electronic states appear in the O K-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond-fo... Show Full Abstract
Femtosecond x-ray laser pulses are used to probe the CO oxidation reaction on Ru initiated by an optical laser pulse. On a timescale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and O on the surface allowing the reactants to collide and, with a transient close to a picosecond (ps), new electronic states appear in the O K-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond-formation between CO and O with a distribution of OC-O bond lengths close to the transition state (TS). After 1 ps 10 % of the CO populate the TS region, which is consistent with predictions based on a quantum oscillator model. Show Partial Abstract
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  • Interest Categories: Chemistry, Material Sciences